1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[2-(1,3-dioxo-2-isoindolyl)ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-(2-phthalimidoethyl)xanthine Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H21N5O4/c1-2-26-15-25-20-19(26)23(32)28(24(33)29(20)14-16-8-4-3-5-9-16)13-12-27-21(30)17-10-6-7-11-18(17)22(27)31/h3-11,15H,2,12-14H2,1H3